! Pwscf input file created with ciftopw.py ! Compound: AsRh &control calculation = 'bands' prefix = 'AsRh' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 6.7652190406199999 celldm(2) = 1.5698324022346368 celldm(3) = 1.6759776536312847 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 8 ntyp = 2 ecutwfc = 55.00000000 ecutrho = 364.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES As 74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF Rh 102.9055 Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 408 0.00000000 0.00000000 0.00000000 1.0 0.01136364 0.00000000 0.00000000 1.0 0.02272727 0.00000000 0.00000000 1.0 0.03409091 0.00000000 0.00000000 1.0 0.04545455 0.00000000 0.00000000 1.0 0.05681818 0.00000000 0.00000000 1.0 0.06818182 0.00000000 0.00000000 1.0 0.07954545 0.00000000 0.00000000 1.0 0.09090909 0.00000000 0.00000000 1.0 0.10227273 0.00000000 0.00000000 1.0 0.11363636 0.00000000 0.00000000 1.0 0.12500000 -0.00000000 0.00000000 1.0 0.13636364 0.00000000 0.00000000 1.0 0.14772727 0.00000000 0.00000000 1.0 0.15909091 0.00000000 0.00000000 1.0 0.17045455 0.00000000 0.00000000 1.0 0.18181818 0.00000000 0.00000000 1.0 0.19318182 0.00000000 0.00000000 1.0 0.20454545 0.00000000 0.00000000 1.0 0.21590909 0.00000000 0.00000000 1.0 0.22727273 0.00000000 0.00000000 1.0 0.23863636 0.00000000 0.00000000 1.0 0.25000000 -0.00000000 0.00000000 1.0 0.26136364 0.00000000 0.00000000 1.0 0.27272727 0.00000000 0.00000000 1.0 0.28409091 -0.00000000 0.00000000 1.0 0.29545455 0.00000000 0.00000000 1.0 0.30681818 0.00000000 0.00000000 1.0 0.31818182 0.00000000 0.00000000 1.0 0.32954545 0.00000000 0.00000000 1.0 0.34090909 0.00000000 0.00000000 1.0 0.35227273 0.00000000 0.00000000 1.0 0.36363636 0.00000000 0.00000000 1.0 0.37500000 0.00000000 0.00000000 1.0 0.38636364 0.00000000 0.00000000 1.0 0.39772727 0.00000000 0.00000000 1.0 0.40909091 0.00000000 0.00000000 1.0 0.42045455 0.00000000 0.00000000 1.0 0.43181818 0.00000000 0.00000000 1.0 0.44318182 0.00000000 0.00000000 1.0 0.45454545 0.00000000 0.00000000 1.0 0.46590909 0.00000000 0.00000000 1.0 0.47727273 0.00000000 0.00000000 1.0 0.48863636 0.00000000 0.00000000 1.0 0.50000000 -0.00000000 0.00000000 1.0 0.50000000 -0.00000000 0.00000000 1.0 0.50000000 0.01785714 0.00000000 1.0 0.50000000 0.03571429 0.00000000 1.0 0.50000000 0.05357143 0.00000000 1.0 0.50000000 0.07142857 0.00000000 1.0 0.50000000 0.08928571 0.00000000 1.0 0.50000000 0.10714286 0.00000000 1.0 0.50000000 0.12500000 0.00000000 1.0 0.50000000 0.14285714 0.00000000 1.0 0.50000000 0.16071429 0.00000000 1.0 0.50000000 0.17857143 0.00000000 1.0 0.50000000 0.19642857 0.00000000 1.0 0.50000000 0.21428571 0.00000000 1.0 0.50000000 0.23214286 0.00000000 1.0 0.50000000 0.25000000 0.00000000 1.0 0.50000000 0.26785714 0.00000000 1.0 0.50000000 0.28571429 0.00000000 1.0 0.50000000 0.30357143 0.00000000 1.0 0.50000000 0.32142857 0.00000000 1.0 0.50000000 0.33928571 0.00000000 1.0 0.50000000 0.35714286 0.00000000 1.0 0.50000000 0.37500000 0.00000000 1.0 0.50000000 0.39285714 0.00000000 1.0 0.50000000 0.41071429 0.00000000 1.0 0.50000000 0.42857143 0.00000000 1.0 0.50000000 0.44642857 0.00000000 1.0 0.50000000 0.46428571 0.00000000 1.0 0.50000000 0.48214286 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48863636 0.50000000 0.00000000 1.0 0.47727273 0.50000000 0.00000000 1.0 0.46590909 0.50000000 0.00000000 1.0 0.45454545 0.50000000 0.00000000 1.0 0.44318182 0.50000000 0.00000000 1.0 0.43181818 0.50000000 0.00000000 1.0 0.42045455 0.50000000 0.00000000 1.0 0.40909091 0.50000000 0.00000000 1.0 0.39772727 0.50000000 0.00000000 1.0 0.38636364 0.50000000 0.00000000 1.0 0.37500000 0.50000000 0.00000000 1.0 0.36363636 0.50000000 0.00000000 1.0 0.35227273 0.50000000 0.00000000 1.0 0.34090909 0.50000000 0.00000000 1.0 0.32954545 0.50000000 0.00000000 1.0 0.31818182 0.50000000 0.00000000 1.0 0.30681818 0.50000000 0.00000000 1.0 0.29545455 0.50000000 0.00000000 1.0 0.28409091 0.50000000 0.00000000 1.0 0.27272727 0.50000000 0.00000000 1.0 0.26136364 0.50000000 0.00000000 1.0 0.25000000 0.50000000 0.00000000 1.0 0.23863636 0.50000000 0.00000000 1.0 0.22727273 0.50000000 0.00000000 1.0 0.21590909 0.50000000 0.00000000 1.0 0.20454545 0.50000000 0.00000000 1.0 0.19318182 0.50000000 0.00000000 1.0 0.18181818 0.50000000 0.00000000 1.0 0.17045455 0.50000000 0.00000000 1.0 0.15909091 0.50000000 0.00000000 1.0 0.14772727 0.50000000 0.00000000 1.0 0.13636364 0.50000000 0.00000000 1.0 0.12500000 0.50000000 0.00000000 1.0 0.11363636 0.50000000 0.00000000 1.0 0.10227273 0.50000000 0.00000000 1.0 0.09090909 0.50000000 0.00000000 1.0 0.07954545 0.50000000 0.00000000 1.0 0.06818182 0.50000000 0.00000000 1.0 0.05681818 0.50000000 0.00000000 1.0 0.04545455 0.50000000 0.00000000 1.0 0.03409091 0.50000000 0.00000000 1.0 0.02272727 0.50000000 0.00000000 1.0 0.01136364 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.48214286 0.00000000 1.0 0.00000000 0.46428571 0.00000000 1.0 0.00000000 0.44642857 0.00000000 1.0 0.00000000 0.42857143 0.00000000 1.0 0.00000000 0.41071429 0.00000000 1.0 0.00000000 0.39285714 0.00000000 1.0 0.00000000 0.37500000 0.00000000 1.0 0.00000000 0.35714286 0.00000000 1.0 0.00000000 0.33928571 0.00000000 1.0 0.00000000 0.32142857 0.00000000 1.0 0.00000000 0.30357143 0.00000000 1.0 0.00000000 0.28571429 0.00000000 1.0 0.00000000 0.26785714 0.00000000 1.0 0.00000000 0.25000000 0.00000000 1.0 0.00000000 0.23214286 0.00000000 1.0 0.00000000 0.21428571 0.00000000 1.0 0.00000000 0.19642857 0.00000000 1.0 0.00000000 0.17857143 0.00000000 1.0 0.00000000 0.16071429 0.00000000 1.0 0.00000000 0.14285714 0.00000000 1.0 0.00000000 0.12500000 0.00000000 1.0 0.00000000 0.10714286 0.00000000 1.0 0.00000000 0.08928571 0.00000000 1.0 0.00000000 0.07142857 0.00000000 1.0 0.00000000 0.05357143 0.00000000 1.0 0.00000000 0.03571429 0.00000000 1.0 0.00000000 0.01785714 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.01851852 1.0 0.00000000 0.00000000 0.03703704 1.0 0.00000000 0.00000000 0.05555556 1.0 0.00000000 0.00000000 0.07407407 1.0 0.00000000 0.00000000 0.09259259 1.0 0.00000000 0.00000000 0.11111111 1.0 0.00000000 0.00000000 0.12962963 1.0 0.00000000 0.00000000 0.14814815 1.0 0.00000000 0.00000000 0.16666667 1.0 0.00000000 0.00000000 0.18518519 1.0 -0.00000000 0.00000000 0.20370370 1.0 0.00000000 0.00000000 0.22222222 1.0 0.00000000 0.00000000 0.24074074 1.0 0.00000000 0.00000000 0.25925926 1.0 -0.00000000 0.00000000 0.27777778 1.0 0.00000000 0.00000000 0.29629630 1.0 0.00000000 0.00000000 0.31481481 1.0 0.00000000 0.00000000 0.33333333 1.0 0.00000000 0.00000000 0.35185185 1.0 0.00000000 0.00000000 0.37037037 1.0 0.00000000 0.00000000 0.38888889 1.0 -0.00000000 0.00000000 0.40740741 1.0 0.00000000 0.00000000 0.42592593 1.0 0.00000000 0.00000000 0.44444444 1.0 -0.00000000 0.00000000 0.46296296 1.0 0.00000000 0.00000000 0.48148148 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01136364 0.00000000 0.50000000 1.0 0.02272727 0.00000000 0.50000000 1.0 0.03409091 0.00000000 0.50000000 1.0 0.04545455 0.00000000 0.50000000 1.0 0.05681818 0.00000000 0.50000000 1.0 0.06818182 0.00000000 0.50000000 1.0 0.07954545 0.00000000 0.50000000 1.0 0.09090909 0.00000000 0.50000000 1.0 0.10227273 0.00000000 0.50000000 1.0 0.11363636 0.00000000 0.50000000 1.0 0.12500000 0.00000000 0.50000000 1.0 0.13636364 -0.00000000 0.50000000 1.0 0.14772727 0.00000000 0.50000000 1.0 0.15909091 0.00000000 0.50000000 1.0 0.17045455 -0.00000000 0.50000000 1.0 0.18181818 0.00000000 0.50000000 1.0 0.19318182 0.00000000 0.50000000 1.0 0.20454545 0.00000000 0.50000000 1.0 0.21590909 0.00000000 0.50000000 1.0 0.22727273 -0.00000000 0.50000000 1.0 0.23863636 0.00000000 0.50000000 1.0 0.25000000 0.00000000 0.50000000 1.0 0.26136364 -0.00000000 0.50000000 1.0 0.27272727 0.00000000 0.50000000 1.0 0.28409091 -0.00000000 0.50000000 1.0 0.29545455 0.00000000 0.50000000 1.0 0.30681818 0.00000000 0.50000000 1.0 0.31818182 0.00000000 0.50000000 1.0 0.32954545 0.00000000 0.50000000 1.0 0.34090909 0.00000000 0.50000000 1.0 0.35227273 0.00000000 0.50000000 1.0 0.36363636 0.00000000 0.50000000 1.0 0.37500000 0.00000000 0.50000000 1.0 0.38636364 -0.00000000 0.50000000 1.0 0.39772727 0.00000000 0.50000000 1.0 0.40909091 0.00000000 0.50000000 1.0 0.42045455 0.00000000 0.50000000 1.0 0.43181818 0.00000000 0.50000000 1.0 0.44318182 0.00000000 0.50000000 1.0 0.45454545 0.00000000 0.50000000 1.0 0.46590909 0.00000000 0.50000000 1.0 0.47727273 0.00000000 0.50000000 1.0 0.48863636 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.01785714 0.50000000 1.0 0.50000000 0.03571429 0.50000000 1.0 0.50000000 0.05357143 0.50000000 1.0 0.50000000 0.07142857 0.50000000 1.0 0.50000000 0.08928571 0.50000000 1.0 0.50000000 0.10714286 0.50000000 1.0 0.50000000 0.12500000 0.50000000 1.0 0.50000000 0.14285714 0.50000000 1.0 0.50000000 0.16071429 0.50000000 1.0 0.50000000 0.17857143 0.50000000 1.0 0.50000000 0.19642857 0.50000000 1.0 0.50000000 0.21428571 0.50000000 1.0 0.50000000 0.23214286 0.50000000 1.0 0.50000000 0.25000000 0.50000000 1.0 0.50000000 0.26785714 0.50000000 1.0 0.50000000 0.28571429 0.50000000 1.0 0.50000000 0.30357143 0.50000000 1.0 0.50000000 0.32142857 0.50000000 1.0 0.50000000 0.33928571 0.50000000 1.0 0.50000000 0.35714286 0.50000000 1.0 0.50000000 0.37500000 0.50000000 1.0 0.50000000 0.39285714 0.50000000 1.0 0.50000000 0.41071429 0.50000000 1.0 0.50000000 0.42857143 0.50000000 1.0 0.50000000 0.44642857 0.50000000 1.0 0.50000000 0.46428571 0.50000000 1.0 0.50000000 0.48214286 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48863636 0.50000000 0.50000000 1.0 0.47727273 0.50000000 0.50000000 1.0 0.46590909 0.50000000 0.50000000 1.0 0.45454545 0.50000000 0.50000000 1.0 0.44318182 0.50000000 0.50000000 1.0 0.43181818 0.50000000 0.50000000 1.0 0.42045455 0.50000000 0.50000000 1.0 0.40909091 0.50000000 0.50000000 1.0 0.39772727 0.50000000 0.50000000 1.0 0.38636364 0.50000000 0.50000000 1.0 0.37500000 0.50000000 0.50000000 1.0 0.36363636 0.50000000 0.50000000 1.0 0.35227273 0.50000000 0.50000000 1.0 0.34090909 0.50000000 0.50000000 1.0 0.32954545 0.50000000 0.50000000 1.0 0.31818182 0.50000000 0.50000000 1.0 0.30681818 0.50000000 0.50000000 1.0 0.29545455 0.50000000 0.50000000 1.0 0.28409091 0.50000000 0.50000000 1.0 0.27272727 0.50000000 0.50000000 1.0 0.26136364 0.50000000 0.50000000 1.0 0.25000000 0.50000000 0.50000000 1.0 0.23863636 0.50000000 0.50000000 1.0 0.22727273 0.50000000 0.50000000 1.0 0.21590909 0.50000000 0.50000000 1.0 0.20454545 0.50000000 0.50000000 1.0 0.19318182 0.50000000 0.50000000 1.0 0.18181818 0.50000000 0.50000000 1.0 0.17045455 0.50000000 0.50000000 1.0 0.15909091 0.50000000 0.50000000 1.0 0.14772727 0.50000000 0.50000000 1.0 0.13636364 0.50000000 0.50000000 1.0 0.12500000 0.50000000 0.50000000 1.0 0.11363636 0.50000000 0.50000000 1.0 0.10227273 0.50000000 0.50000000 1.0 0.09090909 0.50000000 0.50000000 1.0 0.07954545 0.50000000 0.50000000 1.0 0.06818182 0.50000000 0.50000000 1.0 0.05681818 0.50000000 0.50000000 1.0 0.04545455 0.50000000 0.50000000 1.0 0.03409091 0.50000000 0.50000000 1.0 0.02272727 0.50000000 0.50000000 1.0 0.01136364 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.48214286 0.50000000 1.0 0.00000000 0.46428571 0.50000000 1.0 0.00000000 0.44642857 0.50000000 1.0 0.00000000 0.42857143 0.50000000 1.0 0.00000000 0.41071429 0.50000000 1.0 0.00000000 0.39285714 0.50000000 1.0 0.00000000 0.37500000 0.50000000 1.0 0.00000000 0.35714286 0.50000000 1.0 0.00000000 0.33928571 0.50000000 1.0 0.00000000 0.32142857 0.50000000 1.0 0.00000000 0.30357143 0.50000000 1.0 0.00000000 0.28571429 0.50000000 1.0 0.00000000 0.26785714 0.50000000 1.0 0.00000000 0.25000000 0.50000000 1.0 0.00000000 0.23214286 0.50000000 1.0 0.00000000 0.21428571 0.50000000 1.0 0.00000000 0.19642857 0.50000000 1.0 0.00000000 0.17857143 0.50000000 1.0 0.00000000 0.16071429 0.50000000 1.0 0.00000000 0.14285714 0.50000000 1.0 0.00000000 0.12500000 0.50000000 1.0 0.00000000 0.10714286 0.50000000 1.0 0.00000000 0.08928571 0.50000000 1.0 0.00000000 0.07142857 0.50000000 1.0 0.00000000 0.05357143 0.50000000 1.0 0.00000000 0.03571429 0.50000000 1.0 0.00000000 0.01785714 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.01851852 1.0 0.00000000 0.50000000 0.03703704 1.0 0.00000000 0.50000000 0.05555556 1.0 0.00000000 0.50000000 0.07407407 1.0 0.00000000 0.50000000 0.09259259 1.0 0.00000000 0.50000000 0.11111111 1.0 0.00000000 0.50000000 0.12962963 1.0 0.00000000 0.50000000 0.14814815 1.0 0.00000000 0.50000000 0.16666667 1.0 0.00000000 0.50000000 0.18518519 1.0 -0.00000000 0.50000000 0.20370370 1.0 0.00000000 0.50000000 0.22222222 1.0 0.00000000 0.50000000 0.24074074 1.0 0.00000000 0.50000000 0.25925926 1.0 -0.00000000 0.50000000 0.27777778 1.0 0.00000000 0.50000000 0.29629630 1.0 0.00000000 0.50000000 0.31481481 1.0 0.00000000 0.50000000 0.33333333 1.0 0.00000000 0.50000000 0.35185185 1.0 0.00000000 0.50000000 0.37037037 1.0 0.00000000 0.50000000 0.38888889 1.0 -0.00000000 0.50000000 0.40740741 1.0 0.00000000 0.50000000 0.42592593 1.0 0.00000000 0.50000000 0.44444444 1.0 -0.00000000 0.50000000 0.46296296 1.0 0.00000000 0.50000000 0.48148148 1.0 0.00000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.48148148 1.0 0.50000000 0.00000000 0.46296296 1.0 0.50000000 -0.00000000 0.44444444 1.0 0.50000000 -0.00000000 0.42592593 1.0 0.50000000 -0.00000000 0.40740741 1.0 0.50000000 -0.00000000 0.38888889 1.0 0.50000000 -0.00000000 0.37037037 1.0 0.50000000 -0.00000000 0.35185185 1.0 0.50000000 -0.00000000 0.33333333 1.0 0.50000000 -0.00000000 0.31481481 1.0 0.50000000 -0.00000000 0.29629630 1.0 0.50000000 -0.00000000 0.27777778 1.0 0.50000000 0.00000000 0.25925926 1.0 0.50000000 0.00000000 0.24074074 1.0 0.50000000 0.00000000 0.22222222 1.0 0.50000000 0.00000000 0.20370370 1.0 0.50000000 0.00000000 0.18518519 1.0 0.50000000 0.00000000 0.16666667 1.0 0.50000000 -0.00000000 0.14814815 1.0 0.50000000 -0.00000000 0.12962963 1.0 0.50000000 -0.00000000 0.11111111 1.0 0.50000000 -0.00000000 0.09259259 1.0 0.50000000 -0.00000000 0.07407407 1.0 0.50000000 -0.00000000 0.05555556 1.0 0.50000000 -0.00000000 0.03703704 1.0 0.50000000 -0.00000000 0.01851852 1.0 0.50000000 -0.00000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.01851852 1.0 0.50000000 0.50000000 0.03703704 1.0 0.50000000 0.50000000 0.05555556 1.0 0.50000000 0.50000000 0.07407407 1.0 0.50000000 0.50000000 0.09259259 1.0 0.50000000 0.50000000 0.11111111 1.0 0.50000000 0.50000000 0.12962963 1.0 0.50000000 0.50000000 0.14814815 1.0 0.50000000 0.50000000 0.16666667 1.0 0.50000000 0.50000000 0.18518519 1.0 0.50000000 0.50000000 0.20370370 1.0 0.50000000 0.50000000 0.22222222 1.0 0.50000000 0.50000000 0.24074074 1.0 0.50000000 0.50000000 0.25925926 1.0 0.50000000 0.50000000 0.27777778 1.0 0.50000000 0.50000000 0.29629630 1.0 0.50000000 0.50000000 0.31481481 1.0 0.50000000 0.50000000 0.33333333 1.0 0.50000000 0.50000000 0.35185185 1.0 0.50000000 0.50000000 0.37037037 1.0 0.50000000 0.50000000 0.38888889 1.0 0.50000000 0.50000000 0.40740741 1.0 0.50000000 0.50000000 0.42592593 1.0 0.50000000 0.50000000 0.44444444 1.0 0.50000000 0.50000000 0.46296296 1.0 0.50000000 0.50000000 0.48148148 1.0 0.50000000 0.50000000 0.50000000 1.0